add support for extracting r0 array to bond style zero (4ac7a26f) · Commits · 郑智淋 / lammps

src/bond_zero.cpp

+9 −2

Original line number	Diff line number	Diff line
		@@ -144,8 +144,6 @@ void BondZero::write_data(FILE *fp)
		fprintf(fp,"%d %g\n",i,r0[i]);
		}



		/* ---------------------------------------------------------------------- */

		double BondZero::single(int /type/, double /rsq/, int /i/, int /j/,
		@@ -153,3 +151,12 @@ double BondZero::single(int /type/, double /rsq/, int /i/, int /j/,
		{
		return 0.0;
		}

		/* ---------------------------------------------------------------------- */

		void BondZero::extract(const char str, int &dim)
		{
		dim = 1;
		if (strcmp(str,"r0")==0) return (void*) r0;
		return NULL;
		}

+1 −0

Original line number	Diff line number	Diff line
		@@ -38,6 +38,7 @@ class BondZero : public Bond {
		void write_data(FILE *);

		double single(int, double, int, int, double &);
		virtual void extract(const char , int &);

		protected:
		double *r0;